logo   logo
logo Search | Help | MolPaint | Roadmap | Credits | Feedback


PUBCHEM-ZINC04676487

 MMsINC code: MMs03152989
Type: Neutral
Formula: C11H20N2O2
SMILES:   O=C1N(C(C)C)C(CC1)C(=O)NC(C)C
InChI:   InChI=1/C11H20N2O2/c1-7(2)12-11(15)9-5-6-10(14)13(9)8(3)4/h7-9H,5-6H2,1-4H3,(H,12,15)/t9-/m0/s1

Download   format file 
Similarity to PDB ligands  
This browser does not support Java Applets.
Get the latest Java Plug-in here.
download 2D Mol File



download 3D Mol File

Potential Energy
Epot(MMFF94)=35.865 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 212.293 g/mol  logS: -1.37106  SlogP: 0.9104  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.11807  Sterimol/B1: 2.54699  Sterimol/B2: 2.94126  Sterimol/B3: 4.04298
  Sterimol/B4: 6.27826  Sterimol/L: 12.2096 
 
 Surface and Volume Properties
  Accessible surface: 442.798  Positive charged surface: 316.967  Negative charged surface: 125.83  Volume: 225.5
  Hydrophobic surface: 315.23  Hydrophilic surface: 127.568
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.